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1248324-93-7 | 2H-Thiopyran-4-carboxylic acid, 4-aminotetrahydro-, ethyl ester
CAS No: 1248324-93-7 Catalog No: AG000MS2 MDL No:MFCD14623680
Product Description
Catalog Number:
AG000MS2
Chemical Name:
2H-Thiopyran-4-carboxylic acid, 4-aminotetrahydro-, ethyl ester
CAS Number:
1248324-93-7
Molecular Formula:
C8H15NO2S
Molecular Weight:
189.2752
MDL Number:
MFCD14623680
IUPAC Name:
ethyl 4-aminothiane-4-carboxylate
InChI:
InChI=1S/C8H15NO2S/c1-2-11-7(10)8(9)3-5-12-6-4-8/h2-6,9H2,1H3
InChI Key:
VJPXHHVSQUQQGL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(N)CCSCC1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.082g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.273g/mol
Monoisotopic Mass:
189.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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